3-[(2-ethylphenyl)amino]-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(2-ethylphenyl)amino]-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2-ethylanilino)-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2-ethylanilino)-1-(4-fluorophenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2-ethylanilino)-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2-ethylanilino)-1-(4-fluorophenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H20FN2OS+ MolecularWeight: 379.470403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3)S

Isomeric SMILES

CCC1=CC=CC=C1NC(=C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C22H19FN2OS/c1-2-16-8-4-5-9-19(16)24-22(27)20(25-14-6-3-7-15-25)21(26)17-10-12-18(23)13-11-17/h3-15H,2H2,1H3,(H-,24,26,27)/p+1